1-[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenyl-ethyl]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenyl-ethyl]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one Openeye Name: 1-[4-[1-[methyl(4-pyridylmethyl)amino]-2-phenyl-ethyl]-1-piperidyl]-3-(2-thienyl)propan-1-one CAS Name: 1-[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]-1-piperidinyl]-3-thiophen-2-yl-1-propanone IUPAC Name: 1-[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one Traditional Name: 1-[4-[1-[methyl(4-pyridylmethyl)amino]-2-phenyl-ethyl]piperidino]-3-(2-thienyl)propan-1-one Formula: C27H33N3OS MolecularWeight: 447.63542

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CCC4=CC=CS4

Isomeric SMILES

CN(CC1=CC=NC=C1)C(CC2=CC=CC=C2)C3CCN(CC3)C(=O)CCC4=CC=CS4

InChI

InChI=1S/C27H33N3OS/c1-29(21-23-11-15-28-16-12-23)26(20-22-6-3-2-4-7-22)24-13-17-30(18-14-24)27(31)10-9-25-8-5-19-32-25/h2-8,11-12,15-16,19,24,26H,9-10,13-14,17-18,20-21H2,1H3